SCHEMBL8199760

SCHEMBL8199760

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)C1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
DRD2 P14416 5/20 0.48
DRD3 P35462 4/20 0.48
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIGMAR1 Q99720 5/20 0.44
ADRA1A P35348 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7600803 1.00 NAMPT (0.52) NAMPTDRD2DRD3HRH1HRH3
SCHEMBL7554642 1.00 NAMPT (0.52) NAMPTDRD2DRD3HRH1HRH3
SCHEMBL7601737 0.91 NAMPT (0.43) NAMPTDRD2DRD3HRH1HRH3
SCHEMBL7604447 0.87 SIGMAR1 (0.41) NAMPTHRH1HRH3SIGMAR1
SCHEMBL7604544 0.86 EPHX1 (0.52) HRH1HRH3SIGMAR1SMN1; SMN2NPC1
SCHEMBL7557986 0.85 EPHX1 (0.50) HRH1HRH3SIGMAR1SMN1; SMN2NPC1
SCHEMBL20241618 0.84 FAAH (0.47) HRH1HRH3SIGMAR1NPC1
SCHEMBL8203000 0.82 SIGMAR1 (0.48) DRD2DRD3SIGMAR1
SCHEMBL7563203 0.82 SIGMAR1 (0.48) DRD2DRD3SIGMAR1
SCHEMBL13054004 0.82 SIGMAR1 (0.48) DRD2DRD3SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763609-B2 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-7763609-B2 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 NAMPT 4064/4885DRD2 1756/4885DRD3 954/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.